| SpectraBase Compound ID | 4IVtbm8foYd |
|---|---|
| InChI | InChI=1S/C51H88O23/c1-9-11-17-20-29-21-18-15-13-12-14-16-19-22-30(52)69-43-39(61)40(27(7)66-50(43)73-42-36(58)33(55)26(6)65-49(42)68-29)71-51-45(70-46(62)23(3)10-2)44(74-48-38(60)35(57)32(54)25(5)64-48)41(28(8)67-51)72-47-37(59)34(56)31(53)24(4)63-47/h23-29,31-45,47-51,53-61H,9-22H2,1-8H3/t23?,24-,25-,26+,27-,28-,29-,31-,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,47-,48-,49-,50-,51-/m0/s1 |
| InChIKey | JFUPYRTZBHJNLX-KFGINZJGSA-N |
| Mol Weight | 1069.2 g/mol |
| Molecular Formula | C51H88O23 |
| Exact Mass | 1068.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Assp4MOYUBl |
|---|---|
| Name | MURUCOIDIN_I |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H88O23 |
| InChI | InChI=1S/C51H88O23/c1-9-11-17-20-29-21-18-15-13-12-14-16-19-22-30(52)69-43-39(61)40(27(7)66-50(43)73-42-36(58)33(55)26(6)65-49(42)68-29)71-51-45(70-46(62)23(3)10-2)44(74-48-38(60)35(57)32(54)25(5)64-48)41(28(8)67-51)72-47-37(59)34(56)31(53)24(4)63-47/h23-29,31-45,47-51,53-61H,9-22H2,1-8H3/t23?,24-,25-,26+,27-,28-,29-,31-,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,47-,48-,49-,50-,51-/m0/s1 |
| InChIKey | JFUPYRTZBHJNLX-KFGINZJGSA-N |
| Literature Reference Author | L.CHERIGO,R.PEREDA-MIRANDA |
| Literature Reference Citation | J.NAT.PROD.,69,595(2006) |
| Literature Reference DOI | 10.1021/np0504457 |
| Molecular Weight | 1069.246 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18207 |